SCHEMBL6404898

SCHEMBL6404898

O=C(O)[C@@H]1Cc2cc(Cl)cc(CO)c2O[C@@H]1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.36
PTGS1 P23219 12/20 0.36
GRM4 Q14833 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
AKR1C3 P42330 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6406412 0.90 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6405924 0.90 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6408665 0.86 PTGS2 (0.33) PTGS2PTGS1FFAR4
SCHEMBL6407318 0.86 PTGS2 (0.33) PTGS2PTGS1FFAR4
SCHEMBL6409650 0.85 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6405565 0.85 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6405419 0.84 PTGS2 (0.38) PTGS2PTGS1GRM4
SCHEMBL6405938 0.84 PTGS2 (0.38) PTGS2PTGS1GRM4
SCHEMBL6406306 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6403919 0.82 PTGS2 (0.37) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 US disclosed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 US disclosed
EP-1274700-B1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORP (US) 2004-11-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885GRM4 873/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.